[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

C21H28N2O2S — CID 24791953

IUPAC[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H28N2O2S/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(24)20-11-10-19(26-20)14-25-3/h6-11,15,18,22H,4-5,12-14H2,1-3H3
InChIKeyIIQFVNIOJBOEPV-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.73
Rot. Bonds6

About [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone

[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (PubChem CID 24791953) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
PubChem CID24791953
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C21H28N2O2S/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(24)20-11-10-19(26-20)14-25-3/h6-11,15,18,22H,4-5,12-14H2,1-3H3
InChIKeyIIQFVNIOJBOEPV-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone (CID 24791953) is [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
The InChIKey is IIQFVNIOJBOEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15(2)16-6-8-17(9-7-16)22-18-5-4-12-23(13-18)21(24)20-11-10-19(26-20)14-25-3/h6-11,15,18,22H,4-5,12-14H2,1-3H3.
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone?
[5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone has a molecular weight of 372.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-[3-(4-propan-2-ylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24791953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).